ethane;methyl 5-methoxy-4-[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]-6-oxopyran-2-carboxylate

C15H21NO7 — CID 171819028

IUPACethane;methyl 5-methoxy-4-[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]-6-oxopyran-2-carboxylate
SMILESCC.COC(=O)c1cc(N2CC[C@@H](OC)C2=O)c(OC)c(=O)o1
InChIInChI=1S/C13H15NO7.C2H6/c1-18-8-4-5-14(11(8)15)7-6-9(12(16)20-3)21-13(17)10(7)19-2;1-2/h6,8H,4-5H2,1-3H3;1-2H3/t8-;/m1./s1
InChIKeyASXFZHOCTOCZKY-DDWIOCJRSA-N
MW327.33 g/mol
LogP1.21
Rot. Bonds4

About ethane;methyl 5-methoxy-4-[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]-6-oxopyran-2-carboxylate

ethane;methyl 5-methoxy-4-[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]-6-oxopyran-2-carboxylate (PubChem CID 171819028) has the molecular formula C15H21NO7 and a molecular weight of 327.33 g/mol. Its IUPAC name is ethane;methyl 5-methoxy-4-[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]-6-oxopyran-2-carboxylate.

Molecular Properties

Compound Nameethane;methyl 5-methoxy-4-[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]-6-oxopyran-2-carboxylate
PubChem CID171819028
Molecular FormulaC15H21NO7
Molecular Weight327.33 g/mol
Exact Mass327.13
IUPAC Nameethane;methyl 5-methoxy-4-[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]-6-oxopyran-2-carboxylate
SMILESCC.COC(=O)c1cc(N2CC[C@@H](OC)C2=O)c(OC)c(=O)o1
InChIInChI=1S/C13H15NO7.C2H6/c1-18-8-4-5-14(11(8)15)7-6-9(12(16)20-3)21-13(17)10(7)19-2;1-2/h6,8H,4-5H2,1-3H3;1-2H3/t8-;/m1./s1
InChIKeyASXFZHOCTOCZKY-DDWIOCJRSA-N
XLogP1.21
TPSA95.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethane;methyl 5-methoxy-4-[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]-6-oxopyran-2-carboxylate with MolForge

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Related Compounds

methyl 5-methoxy-4-methyl-6-oxopyran-2-carboxylate
CID 171819217
methyl 5-bromo-7,8-dimethoxy-1-oxoisochromene-3-carboxylate
CID 134854549
methyl 4-methyl-6-oxo-5-propoxypyran-2-carboxylate
CID 172588560
methyl 6-methyl-1-oxoisochromene-3-carboxylate
CID 165441452
4-anilino-5-methoxy-6-oxopyran-2-carboxylic acid;ethane;methane
CID 172587807
methyl 8-oxopyrano[3,4-b]pyridine-6-carboxylate
CID 122714828
dimethyl 5-(trifluoromethyl)furan-2,4-dicarboxylate
CID 133062247
methyl 4,7-dichlorofuro[2,3-d]pyridazine-2-carboxylate
CID 12564369
methyl 4-acetyl-5-bromofuran-2-carboxylate
CID 84737463
4-(3-methoxy-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzenesulfonamide
CID 90455170
methyl 7-(6,8-dihydroxy-3-methoxycarbonyl-1-oxoisochromen-7-yl)-6,8-dihydroxy-1-oxoisochromene-3-carboxylate
CID 23958176
methyl 4-(cyclopropylmethyl)-2-methoxybenzoate
CID 172691889

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 5-methoxy-4-[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]-6-oxopyran-2-carboxylate?
The IUPAC name of ethane;methyl 5-methoxy-4-[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]-6-oxopyran-2-carboxylate (CID 171819028) is ethane;methyl 5-methoxy-4-[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]-6-oxopyran-2-carboxylate.
What is the SMILES notation for ethane;methyl 5-methoxy-4-[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]-6-oxopyran-2-carboxylate?
The canonical SMILES for ethane;methyl 5-methoxy-4-[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]-6-oxopyran-2-carboxylate is CC.COC(=O)c1cc(N2CC[C@@H](OC)C2=O)c(OC)c(=O)o1.
What is the InChIKey of ethane;methyl 5-methoxy-4-[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]-6-oxopyran-2-carboxylate?
The InChIKey is ASXFZHOCTOCZKY-DDWIOCJRSA-N. The full InChI is InChI=1S/C13H15NO7.C2H6/c1-18-8-4-5-14(11(8)15)7-6-9(12(16)20-3)21-13(17)10(7)19-2;1-2/h6,8H,4-5H2,1-3H3;1-2H3/t8-;/m1./s1.
What are the key properties of ethane;methyl 5-methoxy-4-[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]-6-oxopyran-2-carboxylate?
ethane;methyl 5-methoxy-4-[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]-6-oxopyran-2-carboxylate has a molecular weight of 327.33 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 5-methoxy-4-[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]-6-oxopyran-2-carboxylate is sourced from PubChem (CID 171819028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).